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Compound Detail

CHEMBL442379

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CCCC(O)/C=C/C#CCCCCCCCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442379
Phase Preclinical
Structure Type MOL
InChI Key NPSUHTVYDUDKNP-NTCAYCPXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.30
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30O3
MW 294.44
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3806609 10.1021/jm00385a005 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine